N"-(2H-triazol-4-ylmethyl)methanetriamine

C4H10N6 — CID 123974261

IUPACN"-(2H-triazol-4-ylmethyl)methanetriamine
SMILESNC(N)NCc1cn[nH]n1
InChIInChI=1S/C4H10N6/c5-4(6)7-1-3-2-8-10-9-3/h2,4,7H,1,5-6H2,(H,8,9,10)
InChIKeyCZGMYPNQSFMSJC-UHFFFAOYSA-N
MW142.17 g/mol
LogP-1.90
Rot. Bonds3

About N"-(2H-triazol-4-ylmethyl)methanetriamine

N"-(2H-triazol-4-ylmethyl)methanetriamine (PubChem CID 123974261) has the molecular formula C4H10N6 and a molecular weight of 142.17 g/mol. Its IUPAC name is N"-(2H-triazol-4-ylmethyl)methanetriamine.

Molecular Properties

Compound NameN"-(2H-triazol-4-ylmethyl)methanetriamine
PubChem CID123974261
Molecular FormulaC4H10N6
Molecular Weight142.17 g/mol
Exact Mass142.10
IUPAC NameN"-(2H-triazol-4-ylmethyl)methanetriamine
SMILESNC(N)NCc1cn[nH]n1
InChIInChI=1S/C4H10N6/c5-4(6)7-1-3-2-8-10-9-3/h2,4,7H,1,5-6H2,(H,8,9,10)
InChIKeyCZGMYPNQSFMSJC-UHFFFAOYSA-N
XLogP-1.90
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl[(1H-1,2,3-triazol-5-yl)methyl]amine
CID 53800752
methyl((1H-1,2,3-triazol-4-yl)methyl)amine hydrochloride
CID 119106308
N,N-dimethyl-1-(2H-triazol-4-yl)methanamine
CID 54206485
4,4,4-trifluoro-N-(2H-triazol-4-ylmethyl)butan-1-amine
CID 141530376
Allyl-(triazolylmethyl)amine
CID 129873951
2,2,2-trifluoro-N-(2H-triazol-4-ylmethyl)ethanamine
CID 61318528
2,2-difluoro-N-(2H-triazol-4-ylmethyl)ethanamine
CID 115406987
1-(1-fluorotriazol-4-yl)-N-methylmethanamine
CID 154682366
N-methyl-1-(2H-triazol-4-yl)ethanamine
CID 18330001
N-(2H-triazol-4-ylmethyl)ethanamine
CID 54298360
N-methyl-1-(2-methyltriazol-4-yl)methanamine
CID 57672231
N-methyl-N-(2H-triazol-4-ylmethyl)ethanamine
CID 59155059

Frequently Asked Questions

What is the IUPAC name of N"-(2H-triazol-4-ylmethyl)methanetriamine?
The IUPAC name of N"-(2H-triazol-4-ylmethyl)methanetriamine (CID 123974261) is N"-(2H-triazol-4-ylmethyl)methanetriamine.
What is the SMILES notation for N"-(2H-triazol-4-ylmethyl)methanetriamine?
The canonical SMILES for N"-(2H-triazol-4-ylmethyl)methanetriamine is NC(N)NCc1cn[nH]n1.
What is the InChIKey of N"-(2H-triazol-4-ylmethyl)methanetriamine?
The InChIKey is CZGMYPNQSFMSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N6/c5-4(6)7-1-3-2-8-10-9-3/h2,4,7H,1,5-6H2,(H,8,9,10).
What are the key properties of N"-(2H-triazol-4-ylmethyl)methanetriamine?
N"-(2H-triazol-4-ylmethyl)methanetriamine has a molecular weight of 142.17 g/mol, XLogP of -1.90, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N"-(2H-triazol-4-ylmethyl)methanetriamine is sourced from PubChem (CID 123974261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).