(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine

C18H22N6O — CID 128976609

IUPAC(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine
SMILESCc1cc(CN[C@H]2CCO[C@@H]2c2ccnn2C)ccc1-n1cncn1
InChIInChI=1S/C18H22N6O/c1-13-9-14(3-4-16(13)24-12-19-11-22-24)10-20-15-6-8-25-18(15)17-5-7-21-23(17)2/h3-5,7,9,11-12,15,18,20H,6,8,10H2,1-2H3/t15-,18-/m0/s1
InChIKeyDUVJVVIUSUIUML-YJBOKZPZSA-N
MW338.42 g/mol
LogP1.93
Rot. Bonds5

About (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine

(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine (PubChem CID 128976609) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine
PubChem CID128976609
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine
SMILESCc1cc(CN[C@H]2CCO[C@@H]2c2ccnn2C)ccc1-n1cncn1
InChIInChI=1S/C18H22N6O/c1-13-9-14(3-4-16(13)24-12-19-11-22-24)10-20-15-6-8-25-18(15)17-5-7-21-23(17)2/h3-5,7,9,11-12,15,18,20H,6,8,10H2,1-2H3/t15-,18-/m0/s1
InChIKeyDUVJVVIUSUIUML-YJBOKZPZSA-N
XLogP1.93
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine with MolForge

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Related Compounds

US20240174662, Example 461
CID 171592691
6-fluoro-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]quinazolin-4-amine
CID 128977012
5-fluoro-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]quinazolin-4-amine
CID 128977013
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-6,7-difluoroquinazolin-4-amine
CID 128992663
6,7-difluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]quinazolin-4-amine
CID 129006837
1-(1-tert-butyltetrazol-5-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 166400226
5-[(1S)-1-(1H-indol-5-yl)ethyl]-4-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 71272151
2-N-[(1S)-1-(1H-indol-5-yl)ethyl]-4-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 71529160
2-N-[1-(1H-indol-5-yl)ethyl]-4-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 78100022
5-[1-(1H-indol-5-yl)ethyl]-4-N-[5-(oxolan-2-yl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 89765737
N-(3-imidazol-1-yl-4-methylphenyl)-5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-amine
CID 141430349
2-[4-[5-(6-Pyrrolidin-1-yl-3-pyridinyl)pyrazol-1-yl]phenyl]morpholine
CID 174711200

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine?
The IUPAC name of (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine (CID 128976609) is (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine?
The canonical SMILES for (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine is Cc1cc(CN[C@H]2CCO[C@@H]2c2ccnn2C)ccc1-n1cncn1.
What is the InChIKey of (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine?
The InChIKey is DUVJVVIUSUIUML-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-9-14(3-4-16(13)24-12-19-11-22-24)10-20-15-6-8-25-18(15)17-5-7-21-23(17)2/h3-5,7,9,11-12,15,18,20H,6,8,10H2,1-2H3/t15-,18-/m0/s1.
What are the key properties of (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine?
(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine has a molecular weight of 338.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine is sourced from PubChem (CID 128976609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).