[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine

C10H16N6 — CID 106717912

IUPAC[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
SMILESCC(C)n1ncnc1Cn1cnc(CN)c1
InChIInChI=1S/C10H16N6/c1-8(2)16-10(12-6-14-16)5-15-4-9(3-11)13-7-15/h4,6-8H,3,5,11H2,1-2H3
InChIKeyUPWPAPQCMGZMHA-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.56
Rot. Bonds4

About [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine

[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine (PubChem CID 106717912) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
PubChem CID106717912
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
SMILESCC(C)n1ncnc1Cn1cnc(CN)c1
InChIInChI=1S/C10H16N6/c1-8(2)16-10(12-6-14-16)5-15-4-9(3-11)13-7-15/h4,6-8H,3,5,11H2,1-2H3
InChIKeyUPWPAPQCMGZMHA-UHFFFAOYSA-N
XLogP0.56
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
CID 106718122
2-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 79983420
2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 116641967
1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721337
2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720070
[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416663
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-one
CID 79099827
1-[4-(aminomethyl)triazol-1-yl]-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 116599907
5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79543047
3-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-one
CID 116622801
[1-(2-methoxyethyl)imidazol-4-yl]methanamine
CID 82467874

Frequently Asked Questions

What is the IUPAC name of [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine (CID 106717912) is [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine is CC(C)n1ncnc1Cn1cnc(CN)c1.
What is the InChIKey of [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine?
The InChIKey is UPWPAPQCMGZMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-8(2)16-10(12-6-14-16)5-15-4-9(3-11)13-7-15/h4,6-8H,3,5,11H2,1-2H3.
What are the key properties of [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine?
[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine has a molecular weight of 220.28 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 106717912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).