6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C9H9ClN8 — CID 114156733

IUPAC6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESClc1nc(NCCc2ncn[nH]2)c2cn[nH]c2n1
InChIInChI=1S/C9H9ClN8/c10-9-15-7(5-3-13-18-8(5)16-9)11-2-1-6-12-4-14-17-6/h3-4H,1-2H2,(H,12,14,17)(H2,11,13,15,16,18)
InChIKeyISEFXLSXRYPKOP-UHFFFAOYSA-N
MW264.68 g/mol
LogP0.78
Rot. Bonds4

About 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 114156733) has the molecular formula C9H9ClN8 and a molecular weight of 264.68 g/mol. Its IUPAC name is 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID114156733
Molecular FormulaC9H9ClN8
Molecular Weight264.68 g/mol
Exact Mass264.06
IUPAC Name6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESClc1nc(NCCc2ncn[nH]2)c2cn[nH]c2n1
InChIInChI=1S/C9H9ClN8/c10-9-15-7(5-3-13-18-8(5)16-9)11-2-1-6-12-4-14-17-6/h3-4H,1-2H2,(H,12,14,17)(H2,11,13,15,16,18)
InChIKeyISEFXLSXRYPKOP-UHFFFAOYSA-N
XLogP0.78
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195152
3-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazin-2-amine
CID 106195203
3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106195168
2-chloro-6-methyl-5-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195182
6-chloro-N-(2-chloroprop-2-enyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 106195516
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 107854257
6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 103820075
6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 114111933
6-chloro-2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 114156731
2-[[(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]phenol
CID 114156842
2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine
CID 106193165
6-chloro-3-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106195183

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 114156733) is 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Clc1nc(NCCc2ncn[nH]2)c2cn[nH]c2n1.
What is the InChIKey of 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ISEFXLSXRYPKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN8/c10-9-15-7(5-3-13-18-8(5)16-9)11-2-1-6-12-4-14-17-6/h3-4H,1-2H2,(H,12,14,17)(H2,11,13,15,16,18).
What are the key properties of 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 264.68 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 114156733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).