N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C10H12N6 — CID 62831686

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1n[nH]c(CNc2ncnc3c2CCC3)n1
InChIInChI=1S/C10H12N6/c1-2-7-8(3-1)12-5-14-10(7)11-4-9-13-6-15-16-9/h5-6H,1-4H2,(H,11,12,14)(H,13,15,16)
InChIKeyBRYAQISSQQEYJC-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.70
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62831686) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62831686
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESc1n[nH]c(CNc2ncnc3c2CCC3)n1
InChIInChI=1S/C10H12N6/c1-2-7-8(3-1)12-5-14-10(7)11-4-9-13-6-15-16-9/h5-6H,1-4H2,(H,11,12,14)(H,13,15,16)
InChIKeyBRYAQISSQQEYJC-UHFFFAOYSA-N
XLogP0.70
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62831686) is N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is c1n[nH]c(CNc2ncnc3c2CCC3)n1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is BRYAQISSQQEYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-2-7-8(3-1)12-5-14-10(7)11-4-9-13-6-15-16-9/h5-6H,1-4H2,(H,11,12,14)(H,13,15,16).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 216.25 g/mol, XLogP of 0.70, 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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62831686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).