4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

C13H14N6 — CID 142744353

IUPAC4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1c(-c2ncnc3[nH]ccc23)nnn1CC1CC1
InChIInChI=1S/C13H14N6/c1-8-11(17-18-19(8)6-9-2-3-9)12-10-4-5-14-13(10)16-7-15-12/h4-5,7,9H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyXXRVNQDVOYSYHE-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.93
Rot. Bonds3

About 4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine

4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 142744353) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID142744353
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1c(-c2ncnc3[nH]ccc23)nnn1CC1CC1
InChIInChI=1S/C13H14N6/c1-8-11(17-18-19(8)6-9-2-3-9)12-10-4-5-14-13(10)16-7-15-12/h4-5,7,9H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyXXRVNQDVOYSYHE-UHFFFAOYSA-N
XLogP1.93
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-methyl-5-(4-methylphenyl)triazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 142744346
4-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 95345040
4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11499821
4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 166898093
4-(2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11665884
ethyl 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3,3a,6,7,7a-hexahydroindole-1-carboxylate
CID 11702358
4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11506874
4-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 146084212
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 67251949
4-(1-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11637434
4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 123284474

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 142744353) is 4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is Cc1c(-c2ncnc3[nH]ccc23)nnn1CC1CC1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is XXRVNQDVOYSYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-8-11(17-18-19(8)6-9-2-3-9)12-10-4-5-14-13(10)16-7-15-12/h4-5,7,9H,2-3,6H2,1H3,(H,14,15,16).
What are the key properties of 4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine?
4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 254.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 142744353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).