N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine

C7H8N6 — CID 61253577

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
SMILESc1cc(NCc2ncn[nH]2)ncn1
InChIInChI=1S/C7H8N6/c1-2-8-4-10-6(1)9-3-7-11-5-12-13-7/h1-2,4-5H,3H2,(H,8,9,10)(H,11,12,13)
InChIKeyZLTYHASEZOBSRQ-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.21
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine

N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 61253577) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID61253577
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
SMILESc1cc(NCc2ncn[nH]2)ncn1
InChIInChI=1S/C7H8N6/c1-2-8-4-10-6(1)9-3-7-11-5-12-13-7/h1-2,4-5H,3H2,(H,8,9,10)(H,11,12,13)
InChIKeyZLTYHASEZOBSRQ-UHFFFAOYSA-N
XLogP0.21
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 66327990
N-[(4-ethylphenyl)methyl]pyrimidin-4-amine
CID 106900112
4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
CID 61360412
N-[(5-bromothiophen-2-yl)methyl]pyrimidin-4-amine
CID 61253580
4-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-4,5-diamine
CID 79916272
ethane;N-ethylpyrimidin-4-amine
CID 167491074
2-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-2,5-diamine
CID 64546102
2-chloro-6-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193105
1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979173
N-(pyridin-4-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64546351
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
1-(1H-pyrazol-5-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979310

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine (CID 61253577) is N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine is c1cc(NCc2ncn[nH]2)ncn1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZLTYHASEZOBSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c1-2-8-4-10-6(1)9-3-7-11-5-12-13-7/h1-2,4-5H,3H2,(H,8,9,10)(H,11,12,13).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 176.18 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 61253577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).