8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine

C17H17ClN8 — CID 135382314

IUPAC8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine
SMILESCC(C)n1ccc(Cn2cc(-c3nc(N)nc4c(Cl)cccc34)nn2)n1
InChIInChI=1S/C17H17ClN8/c1-10(2)26-7-6-11(23-26)8-25-9-14(22-24-25)16-12-4-3-5-13(18)15(12)20-17(19)21-16/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21)
InChIKeyNLTHKFNDFGBRQO-UHFFFAOYSA-N
MW368.83 g/mol
LogP2.95
Rot. Bonds4

About 8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine

8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine (PubChem CID 135382314) has the molecular formula C17H17ClN8 and a molecular weight of 368.83 g/mol. Its IUPAC name is 8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine.

Molecular Properties

Compound Name8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine
PubChem CID135382314
Molecular FormulaC17H17ClN8
Molecular Weight368.83 g/mol
Exact Mass368.13
IUPAC Name8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine
SMILESCC(C)n1ccc(Cn2cc(-c3nc(N)nc4c(Cl)cccc34)nn2)n1
InChIInChI=1S/C17H17ClN8/c1-10(2)26-7-6-11(23-26)8-25-9-14(22-24-25)16-12-4-3-5-13(18)15(12)20-17(19)21-16/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21)
InChIKeyNLTHKFNDFGBRQO-UHFFFAOYSA-N
XLogP2.95
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-4-[1-[[1-(1-cyanoethyl)pyrazol-3-yl]methyl]triazol-4-yl]-5,6-dihydrobenzo[h]quinazoline-7-carbonitrile
CID 178075165
4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine
CID 160932457
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-(1-methoxypropan-2-yl)pyridin-2-one
CID 146327501
8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine
CID 135382318
8-methoxy-4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]quinazolin-2-amine;oxolane
CID 142468444
4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
CID 116623519
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[(2S)-3-hydroxy-3-methylhexan-2-yl]pyridin-2-one
CID 146327290
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-ethylpyridin-2-one
CID 146327370
3-[[4-(2-amino-8-methoxyquinazolin-4-yl)triazol-1-yl]methyl]-1-[1-(1-hydroxycycloprop-2-en-1-yl)ethyl]pyridin-2-one
CID 146327496
2,2,2-trifluoro-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]ethanone
CID 64773563
3-[2-amino-5-fluoro-6-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile
CID 168728365
4-[1-[[1-hydroxy-6-(2-methylbutan-2-yl)pyridin-1-ium-2-yl]methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine
CID 159766753

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine?
The IUPAC name of 8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine (CID 135382314) is 8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine.
What is the SMILES notation for 8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine?
The canonical SMILES for 8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine is CC(C)n1ccc(Cn2cc(-c3nc(N)nc4c(Cl)cccc34)nn2)n1.
What is the InChIKey of 8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine?
The InChIKey is NLTHKFNDFGBRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN8/c1-10(2)26-7-6-11(23-26)8-25-9-14(22-24-25)16-12-4-3-5-13(18)15(12)20-17(19)21-16/h3-7,9-10H,8H2,1-2H3,(H2,19,20,21).
What are the key properties of 8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine?
8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine has a molecular weight of 368.83 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine is sourced from PubChem (CID 135382314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).