5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine

C7H15N5 — CID 104901915

IUPAC5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCC(C)[C@H](N)c1nc(N)n(C)n1
InChIInChI=1S/C7H15N5/c1-4(2)5(8)6-10-7(9)12(3)11-6/h4-5H,8H2,1-3H3,(H2,9,10,11)/t5-/m0/s1
InChIKeyIKOCBCMXMIIQTN-YFKPBYRVSA-N
MW169.23 g/mol
LogP0.05
Rot. Bonds2

About 5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine

5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 104901915) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID104901915
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCC(C)[C@H](N)c1nc(N)n(C)n1
InChIInChI=1S/C7H15N5/c1-4(2)5(8)6-10-7(9)12(3)11-6/h4-5H,8H2,1-3H3,(H2,9,10,11)/t5-/m0/s1
InChIKeyIKOCBCMXMIIQTN-YFKPBYRVSA-N
XLogP0.05
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[amino(cyclopropyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605550
5-(1-amino-3,3,3-trifluoropropyl)-2-methyl-1,2,4-triazol-3-amine
CID 130562096
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-methyl-1,2,4-triazol-3-amine
CID 103309486
5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine
CID 104902564
2-methyl-5-tridecan-7-yl-1,2,4-triazol-3-amine
CID 170424488
2-methyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-amine
CID 104605296
4-[2-amino-2-(5-amino-1-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diol
CID 113432049
2-methyl-1-(4,5,6-trimethylpyrimidin-2-yl)propan-1-amine
CID 63321233
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
CID 47000789
2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 12774391
5-(1-amino-2-methylpropyl)-3-methyl-1,3,4-oxadiazol-2-one
CID 84654091
5-ethyl-1-methyl-3-propan-2-yl-1,2,4-triazole
CID 139572411

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine (CID 104901915) is 5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine is CC(C)[C@H](N)c1nc(N)n(C)n1.
What is the InChIKey of 5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is IKOCBCMXMIIQTN-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H15N5/c1-4(2)5(8)6-10-7(9)12(3)11-6/h4-5H,8H2,1-3H3,(H2,9,10,11)/t5-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine?
5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 169.23 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-methylpropyl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 104901915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).