[1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol

C10H12ClN7O — CID 113313366

IUPAC[1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol
SMILESOCC1(CNc2nc(Cl)nc(-n3cncn3)n2)CC1
InChIInChI=1S/C10H12ClN7O/c11-7-15-8(13-3-10(4-19)1-2-10)17-9(16-7)18-6-12-5-14-18/h5-6,19H,1-4H2,(H,13,15,16,17)
InChIKeyHPJZLBKCKHTUIY-UHFFFAOYSA-N
MW281.71 g/mol
LogP0.29
Rot. Bonds5

About [1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol

[1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol (PubChem CID 113313366) has the molecular formula C10H12ClN7O and a molecular weight of 281.71 g/mol. Its IUPAC name is [1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol
PubChem CID113313366
Molecular FormulaC10H12ClN7O
Molecular Weight281.71 g/mol
Exact Mass281.08
IUPAC Name[1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol
SMILESOCC1(CNc2nc(Cl)nc(-n3cncn3)n2)CC1
InChIInChI=1S/C10H12ClN7O/c11-7-15-8(13-3-10(4-19)1-2-10)17-9(16-7)18-6-12-5-14-18/h5-6,19H,1-4H2,(H,13,15,16,17)
InChIKeyHPJZLBKCKHTUIY-UHFFFAOYSA-N
XLogP0.29
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol (CID 113313366) is [1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol is OCC1(CNc2nc(Cl)nc(-n3cncn3)n2)CC1.
What is the InChIKey of [1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol?
The InChIKey is HPJZLBKCKHTUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN7O/c11-7-15-8(13-3-10(4-19)1-2-10)17-9(16-7)18-6-12-5-14-18/h5-6,19H,1-4H2,(H,13,15,16,17).
What are the key properties of [1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol?
[1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol has a molecular weight of 281.71 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 113313366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).