2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C10H16N4 — CID 136840688

IUPAC2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2n(n1)C(C1(C)CC1)CCN2
InChIInChI=1S/C10H16N4/c1-7-12-9-11-6-3-8(14(9)13-7)10(2)4-5-10/h8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyVCTLQKAPXRORPX-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.74
Rot. Bonds1

About 2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136840688) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136840688
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2n(n1)C(C1(C)CC1)CCN2
InChIInChI=1S/C10H16N4/c1-7-12-9-11-6-3-8(14(9)13-7)10(2)4-5-10/h8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyVCTLQKAPXRORPX-UHFFFAOYSA-N
XLogP1.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136840688) is 2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2n(n1)C(C1(C)CC1)CCN2.
What is the InChIKey of 2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VCTLQKAPXRORPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-7-12-9-11-6-3-8(14(9)13-7)10(2)4-5-10/h8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 192.27 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(1-methylcyclopropyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).