5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine

C7H15N5 — CID 79257110

IUPAC5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)NCc1nc(N)n[nH]1
InChIInChI=1S/C7H15N5/c1-7(2,3)9-4-5-10-6(8)12-11-5/h9H,4H2,1-3H3,(H3,8,10,11,12)
InChIKeyGCRRRAAQAXAEKQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.28
Rot. Bonds2

About 5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine

5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine (PubChem CID 79257110) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine
PubChem CID79257110
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine
SMILESCC(C)(C)NCc1nc(N)n[nH]1
InChIInChI=1S/C7H15N5/c1-7(2,3)9-4-5-10-6(8)12-11-5/h9H,4H2,1-3H3,(H3,8,10,11,12)
InChIKeyGCRRRAAQAXAEKQ-UHFFFAOYSA-N
XLogP0.28
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine (CID 79257110) is 5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine is CC(C)(C)NCc1nc(N)n[nH]1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is GCRRRAAQAXAEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-7(2,3)9-4-5-10-6(8)12-11-5/h9H,4H2,1-3H3,(H3,8,10,11,12).
What are the key properties of 5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine?
5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 169.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 79257110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).