5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine

C4H10N6 — CID 104899966

IUPAC5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine
SMILESC[C@@H](N)c1nnc(N)n1N
InChIInChI=1S/C4H10N6/c1-2(5)3-8-9-4(6)10(3)7/h2H,5,7H2,1H3,(H2,6,9)/t2-/m1/s1
InChIKeyWMTLGYLDRMUNRB-UWTATZPHSA-N
MW142.17 g/mol
LogP-1.41
Rot. Bonds1

About 5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine

5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine (PubChem CID 104899966) has the molecular formula C4H10N6 and a molecular weight of 142.17 g/mol. Its IUPAC name is 5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine.

Molecular Properties

Compound Name5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine
PubChem CID104899966
Molecular FormulaC4H10N6
Molecular Weight142.17 g/mol
Exact Mass142.10
IUPAC Name5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine
SMILESC[C@@H](N)c1nnc(N)n1N
InChIInChI=1S/C4H10N6/c1-2(5)3-8-9-4(6)10(3)7/h2H,5,7H2,1H3,(H2,6,9)/t2-/m1/s1
InChIKeyWMTLGYLDRMUNRB-UWTATZPHSA-N
XLogP-1.41
TPSA108.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1S)-1-aminopentyl]-1,2,4-triazole-3,4-diamine
CID 107146750
5-(4,5-diamino-1,2,4-triazol-3-yl)-1,2,4-triazole-3,4-diamine
CID 102444114
1-(1-methyltetrazol-5-yl)ethanamine
CID 75355753
1-[1-(3-methylbutan-2-yl)tetrazol-5-yl]ethanamine
CID 103085466
1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)ethanamine
CID 61376647
1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine
CID 62696618
1-[1-(1-methylsulfonylpropan-2-yl)tetrazol-5-yl]ethanamine
CID 103086342
1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83866519
5-(2-methoxypropan-2-yl)-1,2,4-triazole-3,4-diamine
CID 103019724
3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride
CID 13210492
(1S)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethanamine
CID 97150422
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83870127

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine?
The IUPAC name of 5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine (CID 104899966) is 5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine.
What is the SMILES notation for 5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine?
The canonical SMILES for 5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine is C[C@@H](N)c1nnc(N)n1N.
What is the InChIKey of 5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine?
The InChIKey is WMTLGYLDRMUNRB-UWTATZPHSA-N. The full InChI is InChI=1S/C4H10N6/c1-2(5)3-8-9-4(6)10(3)7/h2H,5,7H2,1H3,(H2,6,9)/t2-/m1/s1.
What are the key properties of 5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine?
5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine has a molecular weight of 142.17 g/mol, XLogP of -1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminoethyl]-1,2,4-triazole-3,4-diamine is sourced from PubChem (CID 104899966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).